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⚗️ Ingredient

Anisodamine

Open on HERB 2.0 ↗
3
Clinical Trials
0
Meta-Analyses
1
PubMed References
Top Conditions Studied with Anisodamine
Postoperative Nausea and Vomiting 1 Intestinal Diseases 1 Septic Shock 1
📋 Sample Trials
NCT01929044
Efficacy of Buscopan® in Comparison With 654-II (Anisodamine) in Acute Gastric or Intestinal Pain
Completed · Phase 3
NCT02442440
Anisodamine Critically Ill SeptIc Shock
Completed · Phase 1|Phase 2
NCT05240482
ST36 Acupoint Injection With Anisodamine for Postoperative Nausea and Vomiting
Completed
📊 Sample Meta-Analyses
None linked yet.
📚 Sample References
PMID 33384595
Anisodamine Maintains the Stability of Intervertebral Disc Tissue by Inhibiting the Senescence of Nucleus Pulposus Cells and Degradation of Extracellular Matrix via Interleukin-6/Janus Kinases/Signal Transducer and Activator of Transcription 3 Pathway
Front Pharmacol · 2020
⚗️ All Ingredient data fields for Anisodamine
⚗️ Identity
Name
Anisodamine
Aliases / Synonyms
55869-99-3; Hyoscyamine, 6-hydroxy-; Anisodamine, (+/-)-; Raceanisodamine [WHO-DD]; U5AC4ZPQ36; Raceanisodamine; 6.beta.-Hydroxyhyoscyamine; UNII-U5AC4ZPQ36; [(1R,3S,5R,6S)-6-hydroxy-8-methyl-8-azabicyclo[3.2.1]octan-3-yl] (2S)-3-hydroxy-2-phenylpropanoate
🧪 Chemistry
Molecular Weight
305.3740
LogP
0.9017
Drug-likeness
0.809
Oral Bioavailability
34.8720
H-Bond Acceptors
5
H-Bond Donors
2
Rotatable Bonds
4
🔬 Structures
Canonical SMILES
CN1C2CC(CC1C(C2)O)OC(=O)C(CO)C3=CC=CC=C3
Isomeric SMILES
CN1[C@H]2C[C@@H](C[C@@H]1[C@H](C2)O)OC(=O)[C@H](CO)C3=CC=CC=C3
InChIKey
WTQYWNWRJNXDEG-RBZJEDDUSA-N
InChI
InChI=1S/C17H23NO4/c1-18-12-7-13(9-15(18)16(20)8-12)22-17(21)14(10-19)11-5-3-2-4-6-11/h2-6,12-16,19-20H,7-10H2,1H3/t12-,13-,14+,15+,16-/m0/s1
🔗 External References
HERB DB
HBIN016189 ↗
PubChem CID
6918612 ↗
CAS Number
17659-49-3 ↗
DrugBank
DB11785 ↗
SymMap
605
TCMID
1287
TCMSP
MOL005409; MOL011478
TCM-ID
6760
🔍 Raw view — every non-empty column on this row (33 fields)
name
Anisodamine
common names
55869-99-3; Hyoscyamine, 6-hydroxy-; Anisodamine, (+/-)-; Raceanisodamine [WHO-DD]; U5AC4ZPQ36; Raceanisodamine; 6.beta.-Hydroxyhyoscyamine; UNII-U5AC4ZPQ36; [(1R,3S,5R,6S)-6-hydroxy-8-methyl-8-azabicyclo[3.2.1]octan-3-yl] (2S)-3-hydroxy-2-phenylpropanoate
herb ingredient id
HBIN016189
canonical smiles
CN1C2CC(CC1C(C2)O)OC(=O)C(CO)C3=CC=CC=C3
isomeric smiles
CN1[C@H]2C[C@@H](C[C@@H]1[C@H](C2)O)OC(=O)[C@H](CO)C3=CC=CC=C3
inchi
InChI=1S/C17H23NO4/c1-18-12-7-13(9-15(18)16(20)8-12)22-17(21)14(10-19)11-5-3-2-4-6-11/h2-6,12-16,19-20H,7-10H2,1H3/t12-,13-,14+,15+,16-/m0/s1
inchikey
WTQYWNWRJNXDEG-RBZJEDDUSA-N
mol wt
305.3740
num h acceptors
5
num h donors
2
mol logp
0.9017
num rotatable bonds
4
drug likeness
0.809
ob score
34.8720
cas id
17659-49-3
symmap mol id
605
tcmid ingredient id
1287
tcmsp ingredient id
MOL005409; MOL011478
tcm id ingredient id
6760
pubchem cid
6918612
drugbank id
DB11785

🏥 Linked Health Topics

3 · studied for these conditions (text bridge)
Intestinal Diseases
group
Septic Shock
phenotype
Postoperative Nausea And Vomiting
phenotype

📋 Clinical Trials

3 · subject of clinical study
NCT01929044 Efficacy of Buscopan® in Comparison With 654-II (Anisodamine) in Acute Gastric o
→ Intestinal Diseases
NCT02442440 Anisodamine Critically Ill SeptIc Shock
→ Septic Shock
NCT05240482 ST36 Acupoint Injection With Anisodamine for Postoperative Nausea and Vomiting
→ Postoperative Nausea and Vomiting

📚 PubMed References

1 · cited research
PMID 33384595 Anisodamine Maintains the Stability of Intervertebral Disc Tissue by Inhibiting
Front Pharmacol
How relationships are computed
  • Clinical Trials / Meta-Analyses / References: direct foreign-key link via subject_entity_id (Phase 2d wireup)
  • Formula ↔ Herbs: text bridge via formulas.herbs_in_pinyin matching herbs.pinyin_name
  • Herb ↔ Ingredient: empty — needs HERB_herb_ingredient import
  • Ingredient ↔ Target: empty — needs HERB_ingredient_target import
  • Target ↔ Disease: empty — needs HERB_target_disease import
  • Herb → Target → Disease (full chemical spine): awaiting Phase 2e link tables